N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H19N3O3S2 — CID 43606354

IUPACN-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C10H19N3O3S2/c1-6(2)4-8(11)5-12-18(15,16)9-7(3)13-10(14)17-9/h6,8,12H,4-5,11H2,1-3H3,(H,13,14)
InChIKeyQWYRQLVOEJPTRI-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.40
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43606354) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43606354
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC NameN-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C10H19N3O3S2/c1-6(2)4-8(11)5-12-18(15,16)9-7(3)13-10(14)17-9/h6,8,12H,4-5,11H2,1-3H3,(H,13,14)
InChIKeyQWYRQLVOEJPTRI-UHFFFAOYSA-N
XLogP0.40
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43606354) is N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(N)CC(C)C.
What is the InChIKey of N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is QWYRQLVOEJPTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-6(2)4-8(11)5-12-18(15,16)9-7(3)13-10(14)17-9/h6,8,12H,4-5,11H2,1-3H3,(H,13,14).
What are the key properties of N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43606354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).